5UKP
Structure of unliganded anti-gp120 CD4bs antibody DH522.1 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2015-08-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.682, 70.682, 169.835 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.562 - 2.000 |
R-factor | 0.1942 |
Rwork | 0.192 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | The starting model was a hybrid of the heavy chain from CH103UCA Fab (PDB 4QHK) with the light chain from A32 (PDB 3TNM). |
RMSD bond length | 0.007 |
RMSD bond angle | 1.182 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Number of reflections | 33888 |
<I/σ(I)> | 18.4 |
Completeness [%] | 99.7 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.5, 30% 1,2-propanediol, 20% PEG 400 |